SCHEMBL3476846

SCHEMBL3476846

c1c(NCCCCCNc2cc(N3CCCC3)nc(N3CCCC3)n2)nc(N2CCCC2)nc1N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.50
CASP5 P51878 3/20 0.50
CASP4 P49662 2/20 0.50
SENP6 Q9GZR1 9/20 0.48
SENP7 Q9BQF6 8/20 0.48
APAF1 O14727 8/20 0.46
MAPT P10636 8/20 0.46
GAA P10253 6/20 0.46
SENP8 Q96LD8 5/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
ALDH1A1 P00352 1/20 0.46
PPP1CA P62136 3/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
NSD2 O96028 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2785735 0.93 KMT5A (0.51) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2787221 0.89 KMT5A (0.54) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2788861 0.87 KMT5A (0.56) CASP1CASP5CASP4SENP6SENP7
SCHEMBL9215848 0.86 HRH4 (0.56) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2773991 0.86 CXCR4 (0.50) CASP1CASP5CASP4SENP6SENP7
SCHEMBL3475816 0.82 HRH4 (0.46) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2770739 0.81 ALDH1A1 (0.53) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2773827 0.81 HRH4 (0.43) CASP1CASP5CASP4SENP6SENP7
SCHEMBL2813898 0.80 SENP6 (0.39) CASP1CASP5CASP4SENP6SENP7
SCHEMBL8963280 0.79 ALDH1A1 (0.49) CASP1CASP5CASP4MAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO claimed
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 WO disclosed